ID: 64891
SMILES:O=C1C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.775
InChIKey:ULGPHXWUFNPBGD-UHFFFAOYSA-N
ID: 64892
SMILES:c1(O)cc(Cc2c(O)cc(CCCCC)cc2O)c(O)c2c1C1C(O)C(C)(C)C3C1(C2)C(O)C(C)C(C)C3O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 540.697
CB1 binding score: -14.905
InChIKey:KJMZINLCXHRDMC-UHFFFAOYSA-N
ID: 64893
SMILES:C1C(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -17.669
InChIKey:VPERXGXJRSRCKP-UHFFFAOYSA-N
ID: 64894
SMILES:COc1c(O)cc(CCCCC)c2c1C1CC(C(=C)C)CCC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.199
InChIKey:USRBBJNWZPVFAF-UHFFFAOYSA-N
ID: 64895
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.957
InChIKey:OANGEIYPAQYPQV-UHFFFAOYSA-N
ID: 64896
SMILES:c1(CO)cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.098
InChIKey:FUBDUJLSPGGJKP-UHFFFAOYSA-N
ID: 64897
SMILES:C(CCCCC)C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.399
InChIKey:HCAPSYXELIGZKJ-UHFFFAOYSA-N
ID: 64898
SMILES:c1(OC)c(C2C(C(C)=C)CCC(C)=C2)c(O)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.829
InChIKey:FPBTVEQKCBCFLI-UHFFFAOYSA-N
ID: 64899
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 64900
SMILES:C1C(CCCC(C)CCO)(C)Oc2cc(CCCCC)cc(OC)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.527
CB1 binding score: -13.846
InChIKey:KGAFKNSQIIEBAX-UHFFFAOYSA-N
ID: 64901
SMILES:CC1(O)C(CCC2(C)Oc3c(O)cc(CCCCC)cc3O2)C(C)(C)CCCC1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -15.509
InChIKey:CPNQXRSZKBWCDI-UHFFFAOYSA-N
ID: 64902
SMILES:C1C=C(C)CC2C1C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 64903
SMILES:O1c2c(c(O)cc(CCCCC)c2)C(=O)C2(C)C3CC(C)(C)CC3C=C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -14.415
InChIKey:AZQCZJGQKPYGKH-UHFFFAOYSA-N
ID: 64904
SMILES:Cc1ccc(O)c2c1-c1c(cc(CCCCC)c(C(=O)O)c1O)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.445
CB1 binding score: Not available
InChIKey:CKPJOYBLFOWTLT-UHFFFAOYSA-N
ID: 64905
SMILES:C(CCC(=CCCC(C)=CCc1c(O)cc(CCc2ccc(O)c(O)c2)cc1O)C)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -17.946
InChIKey:QGVQNZLGXFEIHT-UHFFFAOYSA-N
ID: 64906
SMILES:C(C)(C1CCC(C(=O)OC)=CC1c1c(O)cc(O)cc1CCCCC)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.063
InChIKey:WLIUAJKQBWCLNG-UHFFFAOYSA-N
ID: 64907
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)(OC)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.791
InChIKey:MTXBVBCSVMSZFL-UHFFFAOYSA-N
ID: 64908
SMILES:C(C1CCC(C)=CC1c1c(O)ccc(CCC)c1)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -6.43
InChIKey:QFCPUQWRKSCIRO-UHFFFAOYSA-N
ID: 64909
SMILES:c12cc(C)ccc1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 64910
SMILES:C(CCCC)CCCC[n+]1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.573
CB1 binding score: -11.008
InChIKey:DPHSZCHXILVSGP-UHFFFAOYSA-O
ID: 64911
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -17.813
InChIKey:KKVTXJLSWQRXEO-UHFFFAOYSA-N